Molecular dynamics simulations of Leu-enkephalin in water and DMSO. (Q36857577)

16 August 2017

Molecular dynamics simulations of Leu-enkephalin in water and DMSO. (English)

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16 August 2017

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van der Spoel D

1

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PMCID

1184398

16 August 2017

Berendsen HJ

series ordinal

2

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PMCID

1184398

16 August 2017

language of work or name

English

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publication date

1 May 1997

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16 August 2017

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16 August 2017

72

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16 August 2017

5

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16 August 2017

2032-2041

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Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions

16 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

On the sensitivity of MD trajectories to changes in water-protein interaction parameters: the potato carboxypeptidase inhibitor in water as a test case for the GROMOS force field

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Study of the state of ionization of [Leu5]-enkephalin in the crystal and in solution.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

NOE data at 500 MHz reveal the proximity of phenyl and tyrosine rings in enkephalin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Nuclear Overhauser effects in linear peptides. A low-temperature 500 MHz study of Met-enkephalin

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Conformational preferences of [Leu5]enkephalin in biomimetic media. Investigation by 1H NMR.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Defining solution conformations of small linear peptides

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Identification of two related pentapeptides from the brain with potent opiate agonist activity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Enkephalin: conformational analysis by means of empirical energy calculations

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Nuclear-magnetic-resonance study on Met-enkephalin and Met-enkephalinamide. Molecular association and conformation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. III. Probable and average conformations of enkephalin.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Solution conformation of enkephalin. A nuclear magnetic resonance study of 13C-enriched carbonyl carbons in [Leu5]-enkephalin

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Improved molecular dynamics simulations for the determination of peptide structures.

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. I. Backbone structure of enkephalin.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1184398

17O NMR and FT-IR study of the ionization state of peptides in aprotic solvents. Application to Leu-enkephalin

4 September 2018

1 reference

12 December 2020

Conformational analysis of Met-enkephalin in both aqueous solution and in the presence of sodium dodecyl sulfate micelles using multidimensional NMR and molecular modeling

1 reference

12 December 2020

Local structure due to an aromatic-amide interaction observed by 1H-nuclear magnetic resonance spectroscopy in peptides related to the N terminus of bovine pancreatic trypsin inhibitor

1 reference

12 December 2020

Molecular dynamics simulation of the stability of a 22-residue alpha-helix in water and 30% trifluoroethanol

1 reference

12 December 2020

Conserved and novel structural characteristics of enantiomorphic Leu-enkephalin. X-ray crystal analysis of Leu-enkephalin enantiomer, L-Tyr-Gly-Gly-L-Phe-L-Leu and D-Tyr-Gly-Gly-D-Phe-D-Leu

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12 December 2020

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12 December 2020

Hydrophobic solvation in aqueous trifluoroethanol solution

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12 December 2020

1H and 13C NMR studies of conformational behaviour of Leu-enkephalin

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12 December 2020

Conformational states of enkephalins in solution

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12 December 2020

Prediction of the native conformation of a polypeptide by a statistical-mechanical procedure. II. Average backbone structure of enkephalin

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12 December 2020

Solution and membrane structure of enkephalins as studied by infrared spectroscopy

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12 December 2020

Calculations on crystal packing of a flexible molecule, Leu-enkephalin

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12 December 2020

17O-NMR studies of the conformational and dynamic properties of enkephalins in aqueous and organic solutions using selectively labeled analogues

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12 December 2020

Dynamic space structure of the Leu-enkephalin molecule in DMSO solution

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12 December 2020

Does a 2----5 beta-turn structure exist in enkephalins? Study of a fully protected Leu-enkephalin in organic solution by 17O-NMR

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12 December 2020

Nanosecond time scale folding dynamics of a pentapeptide in water

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12 December 2020

10.1016/S0006-3495(97)78847-7

Identifiers

DOI

1 reference

16 August 2017

1 reference

16 August 2017

1 reference

PMCID

1184398